Geometry & MOs

Info

ID:	366595
PubChem CID:	127320124
Reduced:	SO2N3C13H19 (1)
Stoich.:	AB2C3D13E19 (1)
Weight, g/mol:	295.225977
ΔH_f, kcal/mol:	-62.82
Dipole, Da:	9.55
IP(EA), eV:	-9.17(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(azepan-1-yl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide

Drug info:

PubChemData

Smile

CC(C#N)C(=O)N1CCCC1C(=O)N2CCSCC2

DOS

IR

Vibrations